7-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-N,N,2-trimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase编号: 637614
• 分子式: C18H19FN6O2
• 平均质量: 370.3808632
• 单一同位素质量: 370.1553521
• SMILES: c1(c(n2c(n1)cccc2)F)C(=O)N1Cc2n(c(c(n2)C)C(=O)N(C)C)CC1
• Canonical SMILES: CN(C(=O)c1c(C)nc2n1CCN(C2)C(=O)c1nc2n(c1F)cccc2)C
• InChI: InChI=1S/C18H19FN6O2/c1-11-15(18(27)22(2)3)24-9-8-23(10-13(24)20-11)17(26)14-16(19)25-7-5-4-6-12(25)21-14/h4-7H,8-10H2,1-3H3
• InChIKey: OKKPTJMOUYGFKS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-N,N,2-trimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC传统名: 7-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-N,N,2-trimethyl-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• 别名: 7-[(3-fluoroimidazo[1,2-a]pyridin-2-yl)carbonyl]-N,N,2-trimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.46338072
• LogD (pH = 7.4): -0.44470105
• Log P: -0.44445735
• 摩尔折射率: 97.77 cm^3
• 极化性: 35.410347 Å^3
• 极化表面积: 75.74 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: -1.45
• LOG S: -1.97
• 极化表面积: 75.74 Å^2
• 可自由旋转的化学键: 2